N-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide

C21H31N3O4 — CID 171680452

IUPACN-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide
SMILESCCN(C)C(C)C(=O)N1CC2CC1CC2NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H31N3O4/c1-6-23(3)13(2)21(26)24-12-15-9-16(24)11-17(15)22-20(25)14-7-8-18(27-4)19(10-14)28-5/h7-8,10,13,15-17H,6,9,11-12H2,1-5H3,(H,22,25)
InChIKeyJRSRRFXTOQUENV-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.76
Rot. Bonds7

About N-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide

N-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide (PubChem CID 171680452) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide
PubChem CID171680452
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC NameN-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide
SMILESCCN(C)C(C)C(=O)N1CC2CC1CC2NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H31N3O4/c1-6-23(3)13(2)21(26)24-12-15-9-16(24)11-17(15)22-20(25)14-7-8-18(27-4)19(10-14)28-5/h7-8,10,13,15-17H,6,9,11-12H2,1-5H3,(H,22,25)
InChIKeyJRSRRFXTOQUENV-UHFFFAOYSA-N
XLogP1.76
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide with MolForge

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Related Compounds

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 6952784
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 11907103
N-[(1S,4S,5S)-2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
CID 53184800
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide
CID 146022969
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide
CID 654699
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethoxybenzamide
CID 114632315
3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
CID 54538637
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51161913

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide (CID 171680452) is N-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide is CCN(C)C(C)C(=O)N1CC2CC1CC2NC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide?
The InChIKey is JRSRRFXTOQUENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-6-23(3)13(2)21(26)24-12-15-9-16(24)11-17(15)22-20(25)14-7-8-18(27-4)19(10-14)28-5/h7-8,10,13,15-17H,6,9,11-12H2,1-5H3,(H,22,25).
What are the key properties of N-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide?
N-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide has a molecular weight of 389.50 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[ethyl(methyl)amino]propanoyl]-2-azabicyclo[2.2.1]heptan-5-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 171680452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).